Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Solid Works”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Assigning a structural motif using spontaneous molecular dipole orientation in thin films

Spontaneous orientation of molecular dipoles has been observed to produce bulk electric fields, termed ‘spontelectric’ fields, in a broad variety of molecular solid thin films formed by condensation from the gas phase. Such spontelectric fields are found in cis-methyl formate (cis-MF) and the present work combines observation of these fields with high quality ab initio studies of cis-MF monomers and dimers. This enables a prediction of the structural motif within the unit cell of the crystalline phase of solid cis-MF, showing it to be a non-polar dimer. Dimer formation at deposition temperatures of >90 K is therefore cited to contribute to the observed collapse of the spontelectric field at these temperatures. We report this is the first time that such a structural prediction has been made using observations of spontelectric behaviour as a key indicator.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Efficient Construction of a C 60 Interlayer for Mechanically Robust, Dendrite-free, and Ultrastable Solid-State Batteries

Interfacial instability between solid electrolytes (SEs) and lithium metal remains a daunting challenge for solid-sate batteries. Here, a conformal C 60 interlayer is efficiently constructed on Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 (LAGP) SEs by physical vapor deposition, and an ideal interfacial contact is achieved via forming an ionically conducting matrix of LixC60 with lithium metal. The obtained Li x C 60 is beneficial to hinder the growth of lithium dendrites at interface and release the local stress during the lithiation and delithiation. As a result, the Li/LAGP-C 60 /Li symmetric cells demonstrate ultra-stable cycling performance for more than 4,500 h at a current density of 0.034 mA cm -2 . The Li/LAGP-C 60 /LiFePO 4 full cells deliver a reversible capacity of 152.4 mAh g -1 at room temperature, and the capacity retention rate is 85% after more than 100 cycles. This work provides a feasible and scalable strategy to improve the SEs/Li interface for high-performance solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2018

Fluid-enhanced surface diffusion controls intraparticle phase transformations

Phase transformations driven by compositional change require mass flux across a phase boundary. In some anisotropic solids, however, the phase boundary moves along a non-conductive crystallographic direction. One such material is Li X FePO 4 , an electrode for lithium-ion batteries. With poor bulk ionic transport along the direction of phase separation, it is unclear how lithium migrates during phase transformations. Here, we show that lithium migrates along the solid/liquid interface without leaving the particle, whereby charge carriers do not cross the double layer. X-ray diffraction and microscopy experiments as well as ab initio molecular dynamics simulations show that organic solvent and water molecules promote this surface ion diffusion, effectively rendering Li X FePO 4 a three-dimensional lithium-ion conductor. Phase-field simulations capture the effects of surface diffusion on phase transformation. Lowering surface diffusivity is crucial towards supressing phase separation. In conclusion, this work establishes fluid-enhanced surface diffusion as a key dial for tuning phase transformation in anisotropic solids.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Surface energy of air fractionated corn stover

Despite decades of research, Integrated Biorefineries (IBRs) are still not commercially viable because of the long-standing, unresolved challenges related to biomass solids handling and transport (e.g., flowability and fouling), and pretreatment e.g., wettability and conversion). The compendium of challenges facing IBRs lead to operational reliability and time-on-stream estimates of 30%, yet economically viable IBRs require greater than 90% operational reliabilities. The performance of commercial solids handling operations is largely dependent on the fundamental thermodynamic property, surface energy. Combining surface area, thermogravimetric, and inverse gas chromatography analyses, we show the observed differences in surface energy (e.g., wettability and work of cohesion) for anatomically air fractionated corn ( Zea mays L.) stover. Furthermore, this study highlights the importance of understanding and tuning biomass surface energy to improve IBR solids handling and transport, and pretreatment operations.

09 BIOMASS FUELS↗
DOE OSTI2023

Natural and enriched Cr target development for production of Manganese-52

52 Mn is a promising PET radiometal with a half-life of 5.6 days and an average positron energy of 242 keV. Typically, chromium of natural isotope abundance is used as a target material to produce this isotope through the nat/52 Cr(p,n) 52 Mn reaction. While natural Cr is a suitable target material, higher purity 52 Mn could be produced by transitioning to enriched 52 Cr targets to prevent the co-production of long-lived 54 Mn (t 1/2 = 312 day). Unfortunately, 52 Cr targets are not cost-effective without recycling processes in place, therefore, this work aims to explore routes to prepare Cr targets that could be recycled. Natural Cr foils, metal powder pellets, enriched chromium-52 oxide and Cr(III) electroplated targets were investigated in this work. Each of these cyclotron targets were irradiated, and the produced 52 Mn was purified, when possible, using a semi-automated system. An improved purification by solid-phase anion exchange from ethanol-HCl mixtures resulted in recoveries of 94.5 ± 2.2% of 52 Mn. The most promising target configuration to produce a recyclable target was electroplated Cr(III). This work presents several pathways to optimize enriched Cr targets for the production of high purity 52 Mn.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS2016

CryoCart Restoration and Vacuum Pipe Construction

Propulsion systems that utilize hypergolic propellants have been used to power space vehicles since the beginning of the space program. Liquid methane and oxygen propulsion systems have emerged as an alternative and have proven to be more environmentally friendly. The incorporation of liquid methane/liquid oxygen (LOX) into the propulsion system has demonstrated an increase in engine performance, as well as a reduction in the volume, size and complexity of the system. Consequently, reducing the total mass of the vehicle which is a crucial aspect that is considered when planning space missions to both the Moon and Mars [1]. Project Morpheus has made significant advancements in liquid oxygen/liquid methane propulsion system technologies by incorporating a LOX/methane propulsion system to a vertical test bed. The vehicle consisted of a 5,000 lb main engine and four 20 lb remote control system (RCS) engines that utilize liquid methane/LOX as its propellant [1]. The vehicle completed successful flight testing at Kennedy Space Center in 2014 which marked the completion of the Morpheus project. Subsequent projects utilizing Morpheus' vertical test bed have been developed to make further advancements. One of the subsequent projects consisted of the addition of a smaller 2,000 lb main engine and a cold helium heat exchanger which would make it possible for a pressurant tank systems to be send to Mars or the Moon by significantly decreasing the overall mass and volume of the pressurant tank. The hot fire tests of the integrated system with the smaller main engine and cold helium heat exchanger were successful at sea level, but further studies are being conducted to better understand how the vertical test bed will behave under thermal-vacuum conditions. For this reason, the integrated vehicle will be taken to Plum Brook to be tested in a chamber capable of simulating these conditions. To ensure that the vehicle will function properly under vacuum conditions, testing will be first completed at the component level. During this process, the igniter of the main engine and the RCS thrusters will be tested under a vacuum. To complete the testing of the components, the test setup first needed to be finalized. The CryoCart is being used to feed the propellants to the test article. The CryoCart is a movable test set-up that was developed in 2009 to provide a mobile platform for testing oxygen/methane systems with hot-fire capability up to 100 lbf. The CryoCart consists of three different systems: Oxygen, Methane, and liquid Nitrogen. The Oxygen and Methane systems are placed into two different carts while the liquid nitrogen system is mainly located in the methane cart. Over the years, the CryoCart has been utilized for different projects and has undergone deterioration. For this reason, a new phase has been developed to rebuild it to working conditions once again. During my internship, I was aiding in the construction and restoration of the CryoCart. In the initial stages of the process, I updated the fluid and electrical schematics for the oxygen, methane, and test article systems. The original CryoCart consisted of an electrical panel that utilized electromechanical relays and a terminal to drive the igniter power and signal, as well as the main fuel and oxygen valves. This electrical panel connected to the CryoCart through various wire harnesses that could be found exiting from the CryoCart. First, it was determined how these harnesses connected to the electromechanical relays so that they worked correctly. Once the electrical system was understood, an alternative for the electromechanical relays and the Molex connectors used throughout the system was sought since these components can often prove to be unreliable. Solid State relays and MIL connectors were purchased to serve as replacements. Upon arrival of the parts, crimping and wiring was completed to install the new solid state relays and MIL connectors. During the replacement of the relays and connectors, system checks of the electrical system were ran to ensure that the system was working correctly. While completing system checks, the pressure transducers that were not functioning properly were also replaced and any issue with the wiring or signal was addressed. Once the electrical components were replaced, the restoration of the fluid system began. Parts of the tubing in the CryoCart had to be rebuild and often consisted of sizing, cutting, bending, filing, and sanding the tubing to prepare it to be flared. Many components had to be proof-tested to bring their certifications up to date, and several components had to be replaced. Various flex hoses, valves, and fittings were send to the Clean Lab because they were new, dirty, or had gone through proof-testing. Once they arrived from the cleaning lab they had to be put back to the system and leak checks and functional tests were conducted. In the Nitrogen system, the copper tubing located in the Oxygen cart was rebuild and Aerogel insulation was added to this section. A new gaseous nitrogen system was added to the CryoCart to purge the vacuum tube which will serve as the test chamber. Once the CryoCart was completed, construction of parts of the vacuum tube began. A flange was manufactured with welded fittings to hold the line of the vacuum pump as well as some extra fittings which will serve as extra inlets used to introduce fluid lines to the vacuum tube. Stress analysis was ran in this flange to ensure that it would not fail under vacuum conditions. The fluid lines leading from the air side of the vacuum to the test article were also constructed and added to the mount that had already been manufactured. Three different sets of tubing were constructed to accommodate the seven different RCS thruster and the main engine igniter that are going to be tested. Full electrical system checks were completed to ensure that all the wire harnesses and valves were functioning. Upon the completion of the CryoCart and the vacuum tube, hot fire testing for the RCS thrusters and the main engine igniter are going to begin. During this time any issues encountered with the engines or igniter will be addressed to ensure that the components function under vacuum conditions. After successful completion of testing, the vertical test bed, Morpheus, will be rebuilt and prepared to be sent to Plum Brook. In Plum Brook, the vehicle will be tested in the thermal-vacuum chamber to demonstrate that integrated lox-methane propulsion system operation in space-like conditions. This internship has allowed me the opportunity to gain valuable hands on experience and to develop skills that will aid in my education as well as in the workforce, while at the same time helping me determine that I would like to further pursue a career in propulsion engineering.

Chaidez, Mariana↗
DOE OSTI2018

Dye-sensitized photoelectrochemical water oxidation through a buried junction

Water oxidation has long been a challenge in artificial photosynthetic devices that convert solar energy into fuels. Water-splitting dye-sensitized photoelectrochemical cells (WS-DSPECs) provide a modular approach for integrating light-harvesting molecules with water-oxidation catalysts on metal-oxide electrodes. Despite recent progress in improving the efficiency of these devices by introducing good molecular water-oxidation catalysts, WS-DSPECs have poor stability, owing to the oxidation of molecular components at very positive electrode potentials. Here we demonstrate that a solid-state dye-sensitized solar cell (ss-DSSC) can be used as a buried junction for stable photoelectrochemical water splitting. A thin protecting layer of TiO 2 grown by atomic layer deposition (ALD) stabilizes the operation of the photoanode in aqueous solution, although as a solar cell there is a performance loss due to increased series resistance after the coating. With an electrodeposited iridium oxide layer, a photocurrent density of 1.43 mA cm −2 was observed in 0.1 M pH 6.7 phosphate solution at 1.23 V versus reversible hydrogen electrode, with good stability over 1 h. We measured an incident photon-to-current efficiency of 22% at 540 nm and a Faradaic efficiency of 43% for oxygen evolution. While the potential profile of the catalyst layer suggested otherwise, we confirmed the formation of a buried junction in the as-prepared photoelectrode. The buried junction design of ss-DSSs adds to our understanding of semiconductor–electrocatalyst junction behaviors in the presence of a poor semiconducting material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

In Situ Li Seed Formation Enables Uniform Plating in Anode-Free Solid-State Batteries

Anode-free solid-state batteries (AFSSBs) are a promising route toward achieving high energy density. In these cells, the anode contains no pre-stored lithium (Li). Instead, all Li inventory originates from the cathode and is freshly deposited onto a bare current collector during charging. However, achieving uniform and defect-free Li plating on this bare current collector remains a major challenging, often resulting in low Li plating/stripping efficiency and rapid capacity decay. Here, for the first time, operando neutron imaging is employed to visualize Li plating/stripping behavior in an anode-free full cell with LiNi 0.82 Mn 0.07 Co 0.11 O 2 (NMC) as the cathode. Operando measurements reveal that complete stripping of Li leaves isolated Li residues on the current collector, which degrades interfacial contact between the current collector and solid-state electrolyte. To mitigate this interfacial issue and promote more uniform Li deposition, we implement a discharge cutoff voltage strategy that intentionally retains a thin residual Li layer after stripping. This thin Li layer, serving as an in situ–formed seed layer, not only enables more homogeneous subsequent Li plating but also improves interfacial contact. As a result, the anode-free cell with a controlled discharge voltage of 3.5 V exhibits excellent long-term cycling stability, maintaining a discharge capacity of 116 mAh g -1 with a retention rate of 83.4% and an average Coulombic efficiency of approximately 99.9% after 430 cycles at 0.25 C. In contrast, the cell with a conventional discharge cutoff voltage of 2.8 V exhibits rapid capacity decay, retaining only 59.7 mAh g -1 after 50 cycles with a capacity retention of 40.7%. This work offers a practical strategy to unlock the long-term viability of anode-free solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2016

Complete doping in solid-state by silica-supported perchloric acid as dopant solid acid: Synthesis and characterization of the novel chiral composite of poly [(±)-2-(sec-butyl) aniline]

Poly [(±)-2-(sec-butyl) aniline]/silica-supported perchloric acid composites were synthesized by combination of poly[(±)-2-sec-butylaniline] base (PSBA) and the silica-supported perchloric acid (SSPA) as dopant solid acid in solid-state. The X-ray photoelectron spectroscopy (XPS) and CHNS results confirm nigraniline oxidation state and complete doping for composites (about 75%) and non-complete for the PSBA·HCl salt (about 49%). The conductivity of samples was (≈0.07 S/cm) in agreement with the percent of doping obtained of the XPS analysis. Also, contact resistance was determined by circular-TLM measurement. The morphology of samples by the scanning electron microscopy (SEM) and their coating were investigated by XPS, SEM-map and energy-dispersive X-ray spectroscopy (EDX). The key benefits of this work are the preparation of conductive chiral composite with the delocalized polaron structure under green chemistry and solid-state condition, the improvement of the processability by inclusion of the 2-sec-butyl group and the use of dopant solid acid (SSPA) as dopant. - Highlights: • The solid-state synthesis of the novel chiral composites of poly[(±)-2-(sec-butyl)aniline] (PSBA) and silica-supported perchloric acid (SSPA). • It takes 120 h for complete deprotonation of PSBA.HCl salt. • Use of SSPA as dopant solid acid for the first time to attain the complete doping of PSBA. • The coating of silica surface with PSBA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

The effects of composition on mechanical properties of W-4Re-Hf-C alloys

Studies were made of the effects of alloy composition on the mechanical behavior of as-worked W-4Re-Hf-C alloys containing up to about 0.8 mol % Hfc. Extracted second-phase particles were analyzed and related to alloy composition and creep strength. While strengthening is attributed to HfC particles, the presence of excess hafnium or carbon (above the calculated amounts for stoichiometric HfC) in swaged W-4Re-Hf-C alloys generally causes a reduction of the high-temperature (1930 C) tensile strength; maximum creep strength is, however, indicated for alloys with a slight (about 0.05 to 0.1 at. %) excess of hafnium. Particle strengthening is reduced by WC in solid solution with HfC for allow compositions with an excess of carbon. The low-temperature ductility of worked W-4Re-Hf-C alloys appears to be far more dependent on the amount of excess C or Hf present than on the HfC particle content in the range studies.

Witzke, W. R.↗
DOE OSTI2014

Polarization controlled deep sub-wavelength periodic features written by femtosecond laser on nanodiamond thin film surface

Deep sub-wavelength (Λ/λ = ∼0.22) periodic features are induced uniformly on a nanodiamond (ND) thin film surface using femtosecond (fs) laser irradiation (pulse duration = ∼110 fs and central wavelength of ∼800 nm). The topography of the surface features is controlled by the laser polarization. Orientation of features is perpendicular to laser polarization. Periodicity (spatial periodicity of < λ/4) of the surface features is less than the laser wavelength. This work gives an experimental proof of polarization controlled surface plasmon-fs laser coupling mechanism prompting the interaction between fs laser and solid matter (here ND thin film) which in turn is resulting in the periodic surface features. Scanning electron microscopy in conjunction with micro Raman scattering, X-ray diffraction, and atomic force microscopy are carried out to extract surface morphology and phase information of the laser irradiated regions. This work demonstrates an easy and efficient surface fabrication technique.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Emergence of liquid following laser melting of gold thin films

X-ray structural science is undergoing a revolution driven by the emergence of X-ray Free-electron Laser (XFEL) facilities. The structures of crystalline solids can now be studied on the picosecond time scale relevant to phonons, atomic vibrations which travel at acoustic velocities. In the work presented here, X-ray diffuse scattering is employed to characterize the time dependence of the liquid phase emerging from femtosecond laser-induced melting of polycrystalline gold thin films using an XFEL. In a previous analysis of Bragg peak profiles, we showed the supersonic disappearance of the solid phase and presented a model of pumped hot electrons carrying energy from the gold surface to scatter at internal grain boundaries. This generates melt fronts propagating relatively slowly into the crystal grains. By conversion of diffuse scattering to a partial X-ray pair distribution function, we demonstrate that it has the characteristic shape obtained by Fourier transformation of the measured F ( Q ). The diffuse signal fraction increases with a characteristic rise-time of 13 ps, roughly independent of the incident pump fluence and consequent final liquid fraction. This suggests the role of further melt-front nucleation processes beyond grain boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Direct Feed Options for Hanford High Level Waste Vitrification - 17318

In the high level waste (HLW) direct feed (DF) option that is under consideration for early operations of the Hanford Tank Waste Treatment and Immobilization Plant (WTP), the pretreatment facility would be bypassed in order to support an earlier start-up of the HLW vitrification facility. For HLW, this would mean that the ultrafiltration and caustic leaching operations that would otherwise have been performed in the pretreatment facility would either not be performed or would be replaced by an interim pretreatment function (in-tank washing and settling, for example). These changes could result in higher aluminum contents, higher chromium contents, a higher fraction of supernate in the HLW feed, and lower solids contents. This would likely affect glass formulations and waste loadings and have impacts on the downstream vitrification operations. In the present work, new high waste loading glass formulations have been developed and characterized for the DF HLW option. A series of scaled melter tests was then conducted to assess the impacts of increased supernate content resulting from less effective washing on wastes from candidate source tanks for the direct feed option. The melter tests were conducted at solids contents extending below the current WTP baseline, which are likely for the direct feed option. The effects on glass production rate, melter operations, and off-gas carryover were determined, as was the ability of increased bubbling to compensate for the increased evaporative load. A series of waste compositions were investigated that span the range of in-tank washing efficiencies between the baseline WTP full-wash case and the no-wash case. The tests included wastes from tank AY-102 as well as high plutonium wastes from tank A-104. The results from this work provide the initial basis for assessments of the relative merits of progressively more intensive pretreatment in HLW direct feed options versus the practical benefits of minimal pretreatment. Together, these results illustrate that the optimum washing strategy will depend on the specific tank waste composition and will need to be evaluated on a tank-by-tank basis. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Reactive burn model calibration using high-throughput initiation experiments at sub-millimeter length scales

We report a first-of-its-kind model calibration was performed using Sandia National Laboratories’ high-throughput initiation (HTI) experiment for two types of vapor-deposited explosive films consisting of hexanitrostilbene (HNS) or pentaerythritol tetranitrate (PETN). These films exhibit prompt initiation, and they reach steady detonation at sub-millimeter length scales. Following prior work on HNS, we test the hypothesis of approximating these explosive films as fine-grained homogeneous solids with simple Arrhenius kinetics burn models. The model calibration process is described herein using a single-step as well as a two-step Arrhenius rate law, and it consists of systematic parameter sampling leading to a reduction in the model degrees of freedom. Multiple local minima are observed; results are given for seven different optimized parameter sets. Each model set is further evaluated in a two-dimensional simulation of the critical failure thickness for a sustained detonation. Overall, the two-step Arrhenius kinetics model captures the observed behavior for HNS; however, neither model produces a good fit to the PETN data. We hypothesize that the HTI results for PETN correspond to a heterogeneous response, owing to the smaller reaction zone of PETN compared to HNS (i.e., it does not homogenize the fine-grained hot spots as well). Future work should consider using the ignition and growth model for PETN, as well as other reactive burn models such as xHVRB, AWSD, PiSURF, and CREST.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Predictive performance modeling framework for a novel enclosed particle receiver configuration and application for thermochemical energy storage

Concentrating solar power (CSP) plants can provide dispatchable power with a thermal energy storage capability for increased renewable-energy grid penetration. Particle-based CSP systems permit higher temperatures, and thus, potentially higher solar-to-electric efficiency than state-of-the-art molten-salt heat-transfer systems. This paper describes a detailed numerical analysis framework for estimating the performance of a novel, geometrically complex, enclosed particle receiver design. The receiver configuration uses arrays of small tubular absorbers to collect and subsequently transfer solar energy to a flowing particulate medium. The enclosed nature of the receiver design renders it amenable to either an inert heat-transfer medium, or a reactive heat-transfer medium that requires a controllable ambient environment. The numerical analysis framework described in this study is demonstrated for the case of thermal reduction of CaCr 0.1 Mn 0.9 O 3-$\delta$ for thermochemical energy storage. The modeling strategy consists of Monte Carlo ray tracing for absorbed solar-energy distributions from a surround heliostat field, computational fluid dynamics modeling of small-scale local tubular arrays, surrogate response surfaces that approximately capture simulated tubular array performance, a quasi-two-dimensional reduced-order description of counter-flow reactive solids and purge gas, and a radiative exchange model applied to embedded-cavity structures at the size scale of the full receiver. In this work we apply the numerical analysis strategy to a single receiver configuration, but the framework can be generically applicable to alternative enclosed designs. In conclusion, we assess sensitivity of receiver performance to surface optical properties, heat-transfer coefficients, solids outlet temperature, and purge-gas feed rates, and discuss the significance of model assumptions and results for future receiver development.

14 SOLAR ENERGY↗
NASA NTRS2021

Direct Measurements of Infrared Intensities of HCN and H2O + HCN Ices for Laboratory and Observational Astrochemistry

Hydrogen cyanide (HCN) is found in a wide variety of extraterrestrial environments within and beyond the solar system, and for that reason laboratory spectroscopists have studied this compound in many spectral regions, including the infrared (IR). However, one aspect that remains to be investigated is the intrinsic IR spectral intensities of solid HCN as opposed to relative band strengths, intrinsic intensities being needed to measure HCN abundances. Here we report measurements of IR absorption coefficients and band strengths, along with supporting refractive indices and densities, of both amorphous and crystalline HCN at two temperatures, one for interstellar work and one more relevant to the outer solar system. Spectra are presented at both temperatures, along with optical constants that can be used in numerical models. Despite widespread and longstanding interest in and investigations of solid HCN, this is the first time that the properties we are reporting have been measured in a single laboratory, avoiding the need for estimates or to combine results from various authors. We find that our measured band strength of ~1 × 1017 cm molecule1 for the CN vibration of HCN, in both amorphous HCN and in an H2O-rich ice, is substantially higher than an earlier estimate. Unless errors of 100% can be tolerated then our new value requires a rescaling of earlier work. Our results shed light on why HCN and other nitriles have been so difficult to identify in the solid state, in contrast to their many detections in the gas phase.

astrochemistry – methods: laboratory – solid state↗
NASA NTRS2021

Direct Measurements of Infrared Intensities of HCN and H2O + HCN Ices for Laboratory and Observational Astrochemistry

Hydrogen cyanide (HCN) is found in a wide variety of extraterrestrial environments within and beyond the solar system, and for that reason laboratory spectroscopists have studied this compound in many spectral regions, including the infrared (IR). However, one aspect that remains to be investigated is the intrinsic IR spectral intensities of solid HCN as opposed to relative band strengths, intrinsic intensities being needed to measure HCN abundances. Here we report measurements of IR absorption coefficients and band strengths, along with supporting refractive indices and densities, of both amorphous and crystalline HCN at two temperatures, one for interstellar work and one more relevant to the outer solar system. Spectra are presented at both temperatures, along with optical constants that can be used in numerical models. Despite widespread and longstanding interest in and investigations of solid HCN, this is the first time that the properties we are reporting have been measured in a single laboratory, avoiding the need for estimates or to combine results from various authors. We find that our measured band strength of ~1 × 1017 cm molecule1 for the CN vibration of HCN, in both amorphous HCN and in an H2O-rich ice, is substantially higher than an earlier estimate. Unless errors of 100% can be tolerated then our new value requires a rescaling of earlier work. Our results shed light on why HCN and other nitriles have been so difficult to identify in the solid state, in contrast to their many detections in the gas phase.

astrochemistry – methods: laboratory – solid state↗
DOE OSTI2020

Attosecond synchronization of extreme ultraviolet high harmonics from crystals

The interaction of strong near-infrared (NIR) laser pulses with wide-bandgap dielectrics produces high harmonics in the extreme ultraviolet (XUV) wavelength range. These observations have opened up the possibility of attosecond metrology in solids, which would benefit from a precise measurement of the emission times of individual harmonics with respect to the NIR laser field. In this work, we show that, when high-harmonics are detected from the input surface of a magnesium oxide crystal, a bichromatic probing of the XUV emission shows a clear synchronization largely consistent with a semiclassical model of electron–hole recollisions in bulk solids. On the other hand, the bichromatic spectrogram of harmonics originating from the exit surface of the 200 μm-thick crystal is strongly modified, indicating the influence of laser field distortions during propagation. Our tracking of sub-cycle electron and hole re-collisions at XUV energies is relevant to the development of solid-state sources of attosecond pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗